N-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]benzamide

C27H25N7O2 — CID 72725225

IUPACN-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]benzamide
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2ccc(NC(=O)c3ccccc3)cc2o1
InChIInChI=1S/C27H25N7O2/c28-25-22(12-18(14-30-25)19-15-31-34(16-19)21-8-10-29-11-9-21)27-33-23-7-6-20(13-24(23)36-27)32-26(35)17-4-2-1-3-5-17/h1-7,12-16,21,29H,8-11H2,(H2,28,30)(H,32,35)
InChIKeyYBCVTAPACPAIHY-UHFFFAOYSA-N
MW479.54 g/mol
LogP4.51
Rot. Bonds5

About N-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]benzamide

N-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]benzamide (PubChem CID 72725225) has the molecular formula C27H25N7O2 and a molecular weight of 479.54 g/mol. Its IUPAC name is N-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]benzamide.

Molecular Properties

Compound NameN-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]benzamide
PubChem CID72725225
Molecular FormulaC27H25N7O2
Molecular Weight479.54 g/mol
Exact Mass479.21
IUPAC NameN-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]benzamide
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2ccc(NC(=O)c3ccccc3)cc2o1
InChIInChI=1S/C27H25N7O2/c28-25-22(12-18(14-30-25)19-15-31-34(16-19)21-8-10-29-11-9-21)27-33-23-7-6-20(13-24(23)36-27)32-26(35)17-4-2-1-3-5-17/h1-7,12-16,21,29H,8-11H2,(H2,28,30)(H,32,35)
InChIKeyYBCVTAPACPAIHY-UHFFFAOYSA-N
XLogP4.51
TPSA123.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]benzamide?
The IUPAC name of N-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]benzamide (CID 72725225) is N-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]benzamide.
What is the SMILES notation for N-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]benzamide?
The canonical SMILES for N-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]benzamide is Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2ccc(NC(=O)c3ccccc3)cc2o1.
What is the InChIKey of N-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]benzamide?
The InChIKey is YBCVTAPACPAIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O2/c28-25-22(12-18(14-30-25)19-15-31-34(16-19)21-8-10-29-11-9-21)27-33-23-7-6-20(13-24(23)36-27)32-26(35)17-4-2-1-3-5-17/h1-7,12-16,21,29H,8-11H2,(H2,28,30)(H,32,35).
What are the key properties of N-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]benzamide?
N-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]benzamide has a molecular weight of 479.54 g/mol, XLogP of 4.51, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-yl]benzamide is sourced from PubChem (CID 72725225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).